Vitas-M small molecule compound

2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-bromophenyl)ethanone

Catalog ID
STK497525
SMILES Brc1ccc(cc1)C(=O)CSc1nnc(n1C)c1cc2c(o1)cccc2

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C19H14BrN3O2S MW 428.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14BrN3O2S/c1-23-18(17-10-13-4-2-3-5-16(13)25-17)21-22-19(23)26-11-15(24)12-6-8-14(20)9-7-12/h2-10H,11H2,1H3
InChIKey
ZYCJARVSLYQTCG-UHFFFAOYSA-N
Synonyms

2((5(1BENZOFURAN2YL)4METHYL124TRIAZOL3YL)SULFANYL)1(4BROMOPHENYL)ETHANONE
2((5(1benzofuran2yl)4methyl4H124triazol3yl)sulfanyl)1(4bromophenyl)ethanone
CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)C3=CC4=CC=CC=C4O3
InChI=1SC19H14BrN3O2Sc12318(171013423516(13)2517)212219(23)261115(24)126814(20)9712h210H11H21H3
MFCD05993655
ZINC000001122677
ZINC01122677
ZINC1122677

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.